1-methylsulfonyl-N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: 1-methylsulfonyl-N-[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: 1-methylsulfonyl-N-[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidin-1-iumyl]-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: 1-methylsulfonyl-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-ium-4-yl]-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[1-(2-keto-2-pyrrolidino-ethyl)piperidin-1-ium-4-yl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C22H33N4O4S+ MolecularWeight: 449.58682

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NC3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H32N4O4S/c1-31(29,30)26-12-4-5-17-15-18(6-7-20(17)26)22(28)23-19-8-13-24(14-9-19)16-21(27)25-10-2-3-11-25/h6-7,15,19H,2-5,8-14,16H2,1H3,(H,23,28)/p+1